N-(4-methylphenyl)-3-phenyl-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine

C21H21N5 — CID 71289176

IUPACN-(4-methylphenyl)-3-phenyl-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine
SMILESCc1ccc(Nc2ncc3c(-c4ccccc4)nn(C(C)C)c3n2)cc1
InChIInChI=1S/C21H21N5/c1-14(2)26-20-18(19(25-26)16-7-5-4-6-8-16)13-22-21(24-20)23-17-11-9-15(3)10-12-17/h4-14H,1-3H3,(H,22,23,24)
InChIKeyNNIZKWRWYUEAPK-UHFFFAOYSA-N
MW343.43 g/mol
LogP5.13
Rot. Bonds4

About N-(4-methylphenyl)-3-phenyl-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine

N-(4-methylphenyl)-3-phenyl-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine (PubChem CID 71289176) has the molecular formula C21H21N5 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-(4-methylphenyl)-3-phenyl-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine.

Molecular Properties

Compound NameN-(4-methylphenyl)-3-phenyl-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine
PubChem CID71289176
Molecular FormulaC21H21N5
Molecular Weight343.43 g/mol
Exact Mass343.18
IUPAC NameN-(4-methylphenyl)-3-phenyl-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine
SMILESCc1ccc(Nc2ncc3c(-c4ccccc4)nn(C(C)C)c3n2)cc1
InChIInChI=1S/C21H21N5/c1-14(2)26-20-18(19(25-26)16-7-5-4-6-8-16)13-22-21(24-20)23-17-11-9-15(3)10-12-17/h4-14H,1-3H3,(H,22,23,24)
InChIKeyNNIZKWRWYUEAPK-UHFFFAOYSA-N
XLogP5.13
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.43
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-4-phenylpyrimidin-2-amine
CID 59588148
5-methyl-8-propan-2-yl-2-(4-pyridin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 10292618
8-phenyl-2-[4-(4-propan-2-ylpiperazin-1-yl)anilino]-6-prop-2-enylpyrimido[4,5-d]pyridazin-5-one
CID 89388423
4-N-(4-methylphenyl)-6-N-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine;hydrochloride
CID 134150531
5-methyl-N-phenyl-4-pyridin-4-ylpyrimidin-2-amine
CID 70484958
6-methyl-N,4-diphenylquinazolin-2-amine
CID 782168
ethane;2-[[4-(4-methylanilino)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol
CID 145463538
2-N,4-N,6-N-tris[4-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine-2,4,6-triamine
CID 146533849
6-(4-chloroanilino)-3-(4-methylphenyl)-[1,2,4]triazino[2,3-c]quinazolin-2-one
CID 71912955
6-(4-methylphenyl)-N-(2-phenylpyrimidin-5-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 139015894
1-[[4-(aminomethyl)cyclohexyl]methyl]-3-(4-morpholin-4-ylphenyl)-N-phenylpyrazolo[3,4-d]pyrimidin-6-amine
CID 144944093
2-N-phenyl-9-propan-2-yl-8-N-pyridin-3-ylpurine-2,8-diamine
CID 155058890

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-3-phenyl-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine?
The IUPAC name of N-(4-methylphenyl)-3-phenyl-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine (CID 71289176) is N-(4-methylphenyl)-3-phenyl-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine.
What is the SMILES notation for N-(4-methylphenyl)-3-phenyl-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine?
The canonical SMILES for N-(4-methylphenyl)-3-phenyl-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine is Cc1ccc(Nc2ncc3c(-c4ccccc4)nn(C(C)C)c3n2)cc1.
What is the InChIKey of N-(4-methylphenyl)-3-phenyl-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine?
The InChIKey is NNIZKWRWYUEAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5/c1-14(2)26-20-18(19(25-26)16-7-5-4-6-8-16)13-22-21(24-20)23-17-11-9-15(3)10-12-17/h4-14H,1-3H3,(H,22,23,24).
What are the key properties of N-(4-methylphenyl)-3-phenyl-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine?
N-(4-methylphenyl)-3-phenyl-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine has a molecular weight of 343.43 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-3-phenyl-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine is sourced from PubChem (CID 71289176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).